Me-pfsas(n7) (C11HF23O4S)

Structural Information

Molecular Formula

SMILES

C(C(OC(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C11HF23O4S/c12-1(7(23,24)25,8(26,27)28)9(29,30)38-10(31,32)5(19,20)3(15,16)2(13,14)4(17,18)6(21,22)11(33,34)39(35,36)37/h(H,35,36,37)

InChIKey

CHSXUTCKDLVDHI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]heptane-1-sulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	666.930126	187.0
[M+Na]+	688.912068	188.5
[M-H]-	664.915574	197.7
[M+NH4]+	683.956673	198.5
[M+K]+	704.886008	201.6
[M+H-H2O]+	648.920110	172.9
[M+HCOO]-	710.921051	205.5
[M+CH3COO]-	724.936701	252.5
[M+Na-2H]-	686.897516	186.9
[M]+	665.92230142	188.1
[M]-	665.92339858	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

666.930126

187.0

[M+Na]+

688.912068

188.5

[M-H]-

664.915574

197.7

[M+NH4]+

683.956673

198.5

[M+K]+

704.886008

201.6

[M+H-H2O]+

648.920110

172.9

[M+HCOO]-

710.921051

205.5

[M+CH3COO]-

724.936701

252.5

[M+Na-2H]-

686.897516

186.9

[M]+

665.92230142

188.1

[M]-

665.92339858

188.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Me-pfsas(n7)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe